Vitas-M small molecule compound
2-chloro-5-{(4Z)-4-[2,4-di(morpholin-4-yl)-5-nitrobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK674496
SMILES CC1=NN(C(=O)/C/1=C\c1cc([N+](=O)[O-])c(cc1N1CCOCC1)N1CCOCC1)c1ccc(c(c1)C(=O)O)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H26ClN5O7 MW 555.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN5O7/c1-16-19(25(33)31(28-16)18-2-3-21(27)20(14-18)26(34)35)12-17-13-24(32(36)37)23(30-6-10-39-11-7-30)15-22(17)29-4-8-38-9-5-29/h2-3,12-15H,4-11H2,1H3,(H,34,35)/b19-12-InChIKey
UBTJAQGBXRHVNI-UNOMPAQXSA-NSynonyms
2CHLORO5((4Z)4((24DIMORPHOLIN4YL5NITROPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
2chloro5((4Z)4(24di(morpholin4yl)5nitrobenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
5(4((24DIMORPHOLIN4YL5NITROPHENYL)METHYLENE)3METHYL5OXO(12DIAZOLINYL))2CHLOROBENZOICACID
CC1=NN(C(=O)C1=Cc1cc((N+)(=O)(O))c(cc1N1CCOCC1)N1CCOCC1)c1ccc(c(c1)C(=O)O)Cl
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2N3CCOCC3)N4CCOCC4)(N+)(=O)(O))C5=CC(=C(C=C5)Cl)C(=O)O
InChI=1SC26H26ClN5O7c11619(25(33)31(2816)182321(27)20(1418)26(34)35)12171324(32(36)37)23(306103911730)1522(17)2948389529h231215H411H21H3(H3435)b1912
MFCD01415020
ZINC000029747704
ZINC29747704
Check stock
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Check stock on Vitas-MAvailable files
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